General Information of the Compound
| Compound ID |
CP0412011
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| Compound Name |
US10028961, Compound 389
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| Structure |
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| Formula |
C20H16F8N8
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| Molecular Weight |
520.388
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| Canonical SMILES |
FC(F)(F)c1cncc(n1)-c1nc(NC2CCC(F)(F)CC2)nc(Nc2ccnc(c2)C(F)(F)F)n1
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| InChI |
InChI=1S/C20H16F8N8/c21-18(22)4-1-10(2-5-18)31-16-34-15(12-8-29-9-14(33-12)20(26,27)28)35-17(36-16)32-11-3-6-30-13(7-11)19(23,24)25/h3,6-10H,1-2,4-5H2,(H2,30,31,32,34,35,36)
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| InChIKey |
DZAOGXHFTBFLFH-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Cell-based Assay
Protein ID: PT03648, Isocitrate dehydrogenase [NADP], mitochondrial